SCHEMBL4873239

SCHEMBL4873239

C=CCOc1cc(CC(C)=O)cc(C(=O)O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
FFAR1 O14842 1/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
PLA2G2A P14555 1/20 0.40
ALDH1A1 P00352 2/20 0.39
POLB P06746 2/20 0.37
PKM P14618 1/20 0.37
GAA P10253 1/20 0.37
TSHR P16473 1/20 0.37
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LTB4R Q15722 1/20 0.35
LTB4R2 Q9NPC1 1/20 0.35
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
ADRB3 P13945 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4879840 0.86 MEN1 (0.46) KDM4ENPC1RAB9AFFAR1MEN1
SCHEMBL20838307 0.83 MEN1 (0.51) KDM4ENPC1RAB9AFFAR1MEN1
SCHEMBL644797 0.83 FFAR1 (0.49) KDM4ENPC1RAB9AFFAR1MEN1
SCHEMBL4875441 0.83 RAB9A (0.48) KDM4ENPC1RAB9AFFAR1MEN1
SCHEMBL2529384 0.82 KDM4E (0.47) KDM4ENPC1RAB9AFFAR1MEN1
SCHEMBL2526307 0.82 FFAR1 (0.44) KDM4ENPC1RAB9AFFAR1MEN1
SCHEMBL4879634 0.81 KDM4E (0.46) KDM4ENPC1RAB9AFFAR1MEN1
SCHEMBL4872668 0.79 PLA2G2A (0.45) KDM4ENPC1RAB9AFFAR1MEN1
SCHEMBL4878837 0.79 PLA2G2A (0.47) KDM4ENPC1RAB9AFFAR1MEN1
SCHEMBL4876609 0.79 RAB9A (0.45) KDM4ENPC1RAB9AFFAR1MEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080132477-A1 Macrocyclic Compounds Useful as Bace Inhibitors NOVARTIS AG (CH) 2008-06-05 US disclosed
EP-1851208-A1 MACROCYCLIC COMPOUNDS USEFUL AS BACE INHIBITORS Novartis AG (CH) 2007-11-07 EP disclosed
WO-2006074950-A1 MACROCYCLIC COMPOUNDS USEFUL AS BACE INHIBITORS NOVARTIS AG (CH) 2006-07-20 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080132477-A1 Macrocyclic Compounds Useful as Bace Inhibitors BACE1, BACE2, APP KDM4E 3337/4885NPC1 41/4885RAB9A 2224/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.